2-ethanimidoyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-(1-isobutylbenzimidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(1-isobutylbenzimidazol-2-yl)thio]-3-keto-butyronitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C17H20N4OS/c1-11(2)9-21-15-7-5-4-6-14(15)20-17(21)23-10-16(22)13(8-18)12(3)19/h4-7,11,13,19H,9-10H2,1-3H3